Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H6Br2O2

Suppliers	Catalog Number
Matrix Scientific	066946
Bide Pharmatech	BD169680

Database	Data ID
PubChem	4263195

M. W.

293.94004

CAS

203314-28-7

Similarity

N/A

ID: 61702

4-amino-3-nitrobenzonitrile

$$$$ Data More

M. F.

C7H5N3O2

Suppliers	Catalog Number
Sigma Aldrich	324698 08857
Alfa Aesar	B23463
Matrix Scientific	066947

Database	Data ID
PubChem	595901

M. W.

163.1335

CAS

6393-40-4

Similarity

N/A

ID: 61703

1-bromo-4-chloro-2-methoxybenzene

$$$$ Data More

M. F.

C7H6BrClO

Suppliers	Catalog Number
Alfa Aesar	B25512
Matrix Scientific	066948
Apollo Scientific	OR13198

Database	Data ID
PubChem	17984845

M. W.

221.47894

CAS

174913-09-8

Similarity

N/A

ID: 61704

2-bromo-1-chloro-4-methoxybenzene

$$$$ Data More

M. F.

C7H6BrClO

Suppliers	Catalog Number
Alfa Aesar	A18660
Matrix Scientific	066949
Apollo Scientific	OR8887

Database	Data ID
PubChem	24212081

M. W.

221.47894

CAS

2732-80-1

Similarity

N/A

ID: 61705

4-bromo-1-chloro-2-methoxybenzene

$$$$ Data More

M. F.

C7H6BrClO

Suppliers	Catalog Number
Sigma Aldrich	516767
Matrix Scientific	066950
Apollo Scientific	OR0177

Database	Data ID
PubChem	2769567

M. W.

221.47894

CAS

16817-43-9

Similarity

N/A

ID: 61706

4-bromo-3-chlorobenzonitrile

$$$$ Data

M. F.

C7H3BrClN

Suppliers	Catalog Number
Matrix Scientific	066951
Bide Pharmatech	BD211556

Database	Data ID
PubChem	16659395

M. W.

216.46242

CAS

57418-97-0

Similarity

N/A

ID: 61707

oxetan-3-ol

$$$$ Data More

M. F.

C3H6O2

Suppliers	Catalog Number
Sigma Aldrich	733296
Alfa Aesar	H57928
Matrix Scientific	066958

Database	Data ID
PubChem	9942117

M. W.

74.07854

CAS

7748-36-9

Similarity

N/A

ID: 61708

[3-(bromomethyl)oxetan-3-yl]methanol

$$$$ Data More

M. F.

C5H9BrO2

Suppliers	Catalog Number
Sigma Aldrich	L500208
Alfa Aesar	H57413
Matrix Scientific	066959

Database	Data ID
PubChem	529264

M. W.

181.02776

CAS

22633-44-9

Similarity

N/A

ID: 61709

tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate

$$$$ Data

M. F.

C10H17NO3

Suppliers	Catalog Number
Matrix Scientific	066960

Database	Data ID
PubChem	54758968

M. W.

199.24688

CAS

1223573-41-8

Similarity

N/A

ID: 61710

1-oxa-6-azaspiro[3.4]octane

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Matrix Scientific	066961

Database	Data ID
PubChem	54759147

M. W.

113.15764

CAS

130906-06-8

Similarity

N/A

ID: 61711

tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate

$$$$ Data

M. F.

C11H19NO3

Suppliers	Catalog Number
Matrix Scientific	066962

Database	Data ID
PubChem	56773880

M. W.

213.27346

CAS

1264635-65-5

Similarity

N/A

ID: 61712

tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate

$$$$ Data

M. F.

C12H21NO3

Suppliers	Catalog Number
Matrix Scientific	066963

Database	Data ID
PubChem	17749951

M. W.

227.30004

CAS

864684-96-8

Similarity

N/A

ID: 61713

2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide

$$$$ Data More

M. F.

C7H13NO2S

Suppliers	Catalog Number
Sigma Aldrich	L500429
Alfa Aesar	H57776
Matrix Scientific	066964

Database	Data ID
PubChem	46839995

M. W.

175.24862

CAS

1158098-73-7

Similarity

N/A

ID: 61714

tert-butyl 5-azaspiro[3.4]octane-5-carboxylate

$$$$ Data

M. F.

C12H21NO2

Suppliers	Catalog Number
Matrix Scientific	066966

Database	Data ID
PubChem	71298526

M. W.

211.30064

CAS

1245816-30-1

Similarity

N/A

ID: 61715

bis(2-oxa-6-azaspiro[3.3]heptane); oxalic acid

$$$$ Data More

M. F.

C12H20N2O6

Suppliers	Catalog Number
Sigma Aldrich	L500496
Alfa Aesar	H57634
Matrix Scientific	066968

Database	Data ID
PubChem	54594442

M. W.

288.297

CAS

1045709-32-7

Similarity

N/A

ID: 61716

tert-butyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate

$$$$ Data

M. F.

C11H19NO3

Suppliers	Catalog Number
Matrix Scientific	066970

Database	Data ID
PubChem	54758970

M. W.

213.27346

CAS

1245816-31-2

Similarity

N/A

ID: 61717

tert-butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate

$$$$ Data

M. F.

C12H21NO3

Suppliers	Catalog Number
Matrix Scientific	066972

Database	Data ID
PubChem	54758972

M. W.

227.30004

CAS

1245816-29-8

Similarity

N/A

ID: 61718

2-oxa-7-azaspiro[3.5]nonane

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Matrix Scientific	066973
Apollo Scientific	OR17715
Enamine	EN300-98669

Database	Data ID
PubChem	21955284

M. W.

127.18422

CAS

241820-91-7

Similarity

N/A

ID: 61719

tert-butyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate

$$$$ Data

M. F.

C12H21NO3

Suppliers	Catalog Number
Matrix Scientific	066974

Database	Data ID
PubChem	21955210

M. W.

227.30004

CAS

240401-27-8

Similarity

N/A

ID: 61720

3-aminooxetane-3-carboxylic acid

$$$$ Data More

M. F.

C4H7NO3

Suppliers	Catalog Number
Sigma Aldrich	733091
Alfa Aesar	H57291
Matrix Scientific	066975

Database	Data ID
PubChem	15024256

M. W.

117.10328

CAS

138650-24-5

Similarity

N/A

ID: 61721

3-bromooxetane

$$$$ Data

M. F.

C3H5BrO

Suppliers	Catalog Number
Alfa Aesar	H57437
Matrix Scientific	066976
A&J Pharmtech	AJA-O10162

Database	Data ID
PubChem	16244493

M. W.

136.9752

CAS

39267-79-3

Similarity

N/A

ID: 61722

3-iodooxetane

$$$$ Data More

M. F.

C3H5IO

Suppliers	Catalog Number
Sigma Aldrich	731560
Alfa Aesar	H57302
Matrix Scientific	066977

Database	Data ID
PubChem	13356686

M. W.

183.97567

CAS

26272-85-5

Similarity

N/A

ID: 61723

tert-butyl 1-oxa-6-azaspiro[3.5]nonane-6-carboxylate

$$$$ Data

M. F.

C12H21NO3

Suppliers	Catalog Number
Matrix Scientific	066979

Database	Data ID
PubChem	54758969

M. W.

227.30004

CAS

1272412-68-6

Similarity

N/A

ID: 61724

N-methyloxetan-3-amine

$$$$ Data

M. F.

C4H9NO

Suppliers	Catalog Number
Matrix Scientific	066981

Database	Data ID
PubChem	46839993

M. W.

87.12036

CAS

952182-03-5

Similarity

N/A

ID: 61725

tert-butyl 6-oxa-1-azaspiro[3.3]heptane-1-carboxylate

$$$$ Data

M. F.

C10H17NO3

Suppliers	Catalog Number
Matrix Scientific	066983

Database	Data ID
PubChem	54758967

M. W.

199.24688

CAS

1245816-27-6

Similarity

N/A

ID: 61726

methyl 2-(oxetan-3-ylidene)acetate

$$$$ Data

M. F.

C6H8O3

Suppliers	Catalog Number
Alfa Aesar	H57376
Matrix Scientific	066984

Database	Data ID
PubChem	46839994

M. W.

128.12592

CAS

1105665-34-6

Similarity

N/A

ID: 61727

oxetane-3-carboxylic acid

$$$$ Data More

M. F.

C4H6O3

Suppliers	Catalog Number
Alfa Aesar	H57578
Matrix Scientific	066986
Enamine	EN300-82102

Database	Data ID
PubChem	19847174

M. W.

102.08864

CAS

114012-41-8

Similarity

N/A

ID: 61728

2-(1,3-thiazol-2-yl)oxetan-3-ol

$$$$ Data

M. F.

C6H7NO2S

Suppliers	Catalog Number
Matrix Scientific	066987

Database	Data ID
PubChem	54759149

M. W.

157.19028

CAS

1272412-63-1

Similarity

N/A

ID: 61729

(2R)-2-amino-3-[(2-carboxyethyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C6H11NO4S

Suppliers	Catalog Number
Matrix Scientific	066988
Key Organics	HF-0229
TRC	C178055

Database	Data ID
PubChem	23618202

M. W.

193.22084

CAS

100429-59-2

Similarity

N/A

ID: 61730

(2S)-2-amino-N,N-dimethyl-2-phenylacetamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	066989
Key Organics	HB-0078

Database	Data ID
PubChem	56773881

M. W.

214.6919

CAS

Similarity

N/A

ID: 61731

benzyl 4-{[(2,4-dichlorophenyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate

$$$$ Data

M. F.

C20H22Cl2N2O3

Suppliers	Catalog Number
Matrix Scientific	066990
Key Organics	LF-0010

Database	Data ID
PubChem	56773882

M. W.

409.30628

CAS

Similarity

N/A

ID: 61732

benzyl 4-{[(3,4-dimethylphenyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate

$$$$ Data

M. F.

C22H28N2O3

Suppliers	Catalog Number
Matrix Scientific	066991
Key Organics	LF-0002

Database	Data ID
PubChem	56773883

M. W.

368.46932

CAS

Similarity

N/A

ID: 61733

2-(1-benzylpiperidin-4-yl)acetonitrile

$$$$ Data

M. F.

C14H18N2

Suppliers	Catalog Number
Matrix Scientific	066992
Key Organics	KF-0239

Database	Data ID
PubChem	562499

M. W.

214.30612

CAS

78056-67-4

Similarity

N/A

ID: 61734

2-(1-benzylpiperidin-4-ylidene)acetonitrile

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Matrix Scientific	066993
Key Organics	KF-0234

Database	Data ID
PubChem	12201521

M. W.

212.29024

CAS

55022-82-7

Similarity

N/A

ID: 61735

3-bromo-4-fluoro-7-nitro-1H-indazole

$$$$ Data

M. F.

C7H3BrFN3O2

Suppliers	Catalog Number
Matrix Scientific	066994
Key Organics	KF-0711

Database	Data ID
PubChem	56773884

M. W.

260.0200232

CAS

Similarity

N/A

ID: 61736

5-bromo-3-iodo-2-methoxybenzaldehyde

$$$$ Data

M. F.

C8H6BrIO2

Suppliers	Catalog Number
Matrix Scientific	066995
Key Organics	LF-0705

Database	Data ID
PubChem	19577741

M. W.

340.94051

CAS

Similarity

N/A

ID: 61737

(5-bromo-3-iodo-2-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H8BrIO2

Suppliers	Catalog Number
Matrix Scientific	066996
Key Organics	KF-0739

Database	Data ID
PubChem	56773885

M. W.

342.95639

CAS

Similarity

N/A

ID: 61738

2-bromo-6-methanesulfonylpyridin-3-amine

$$$$ Data

M. F.

C6H7BrN2O2S

Suppliers	Catalog Number
Matrix Scientific	066997
Key Organics	KF-0735

Database	Data ID
PubChem	56773886

M. W.

251.10098

CAS

Similarity

N/A

ID: 61739

5-bromo-2-nitrobenzaldehyde

$$$$ Data More

M. F.

C7H4BrNO3

Suppliers	Catalog Number
Matrix Scientific	066998
Key Organics	KF-0237
Enamine	EN300-116600

Database	Data ID
PubChem	97233

M. W.

230.01556

CAS

20357-20-4

Similarity

N/A

ID: 61740

2-bromoquinoxaline

$$$$ Data More

M. F.

C8H5BrN2

Suppliers	Catalog Number
Matrix Scientific	066999
Key Organics	LF-0206
Enamine	EN300-78716

Database	Data ID
PubChem	582225

M. W.

209.0427

CAS

36856-91-4

Similarity

N/A

ID: 61741

5-carbamoyl-3-chloropyridine-2-carboxylic acid

$$$$ Data

M. F.

C7H5ClN2O3

Suppliers	Catalog Number
Matrix Scientific	067000
Key Organics	KF-0748
Enamine	EN300-109643

Database	Data ID
PubChem	56773887

M. W.

200.5792

CAS

Similarity

N/A

ID: 61742

5-chloro-3-hydroxy-2,3-dihydro-1λ⁶-benzothiophene-1,1-dione

$$$$ Data

M. F.

C8H7ClO3S

Suppliers	Catalog Number
Matrix Scientific	067001
Key Organics	HF-0751

Database	Data ID
PubChem	56773888

M. W.

218.65738

CAS

Similarity

N/A

ID: 61743

4-chloro-1,6-naphthyridine

$$$$ Data

M. F.

C8H5ClN2

Suppliers	Catalog Number
Matrix Scientific	067002
Key Organics	LF-0713
Enamine	EN300-85393

Database	Data ID
PubChem	21766694

M. W.

164.5917

CAS

6861-84-3

Similarity

N/A

ID: 61744

3-chloro-2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C10H6ClF3N2

Suppliers	Catalog Number
Matrix Scientific	067003
Key Organics	6F-022
Apollo Scientific	PC32059

Database	Data ID
PubChem	671586

M. W.

246.6162496

CAS

Similarity

N/A

ID: 61745

4-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}-7-hydroxy-2H-chromen-2-one

$$$$ Data

M. F.

C16H19NO4

Suppliers	Catalog Number
Matrix Scientific	067004
Key Organics	KF-0021

Database	Data ID
PubChem	5688581

M. W.

289.32636

CAS

Similarity

N/A

ID: 61746

4-{[(2,4-dichlorophenyl)amino]methyl}piperidin-4-ol

$$$$ Data

M. F.

C12H16Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	067005
Key Organics	LF-0035

Database	Data ID
PubChem	56773889

M. W.

275.17424

CAS

Similarity

N/A

ID: 61747

1,4-dihydro-1,6-naphthyridin-4-one

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Matrix Scientific	067006
Key Organics	LF-0708
Enamine	EN300-85394

Database	Data ID
PubChem	4089055

M. W.

146.14604

CAS

72754-01-9

Similarity

N/A

ID: 61748

4-{[(3,4-dimethylphenyl)amino]methyl}piperidin-4-ol

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Matrix Scientific	067007
Key Organics	LF-0022

Database	Data ID
PubChem	56773890

M. W.

234.33728

CAS

Similarity

N/A

ID: 61749

3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

$$$$ Data

M. F.

C15H20N2O2

Suppliers	Catalog Number
Matrix Scientific	067008
Key Organics	LF-0043

Database	Data ID
PubChem	56773891

M. W.

260.3315

CAS

Similarity

N/A

ID: 61750

N,N-dimethyl-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Matrix Scientific	067009
Key Organics	KF-0708

Database	Data ID
PubChem	11073495

M. W.

138.1671

CAS

7126-47-8

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified